ELAGOLIX, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H30F5N3O5
Molecular Weight	631.5897
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(F)C(=CC=C1)C2=C(C)N(CC3=C(F)C=CC=C3C(F)(F)F)C(=O)N(C[C@@H](NCCCC(O)=O)C4=CC=CC=C4)C2=O

InChI

InChIKey=HEAUOKZIVMZVQL-RUZDIDTESA-N

InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H30F5N3O5
Molecular Weight	631.5897
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:01:29 GMT 2025` Edited by `admin` on `Wed Apr 02 15:01:29 GMT 2025`
Record UNII	VNF5ZW3RE5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELAGOLIX, (S)-

Common Name

English

ELAGOLIX (S)-ENANTIOMER

Preferred Name

English

Butanoic acid, 4-[[(1S)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-

Systematic Name

English

4-[[(1S)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

VNF5ZW3RE5

Created by admin on Wed Apr 02 15:01:29 GMT 2025 , Edited by admin on Wed Apr 02 15:01:29 GMT 2025

PRIMARY

PUBCHEM

69141124

Created by admin on Wed Apr 02 15:01:29 GMT 2025 , Edited by admin on Wed Apr 02 15:01:29 GMT 2025

PRIMARY

CAS

2409132-65-4

Created by admin on Wed Apr 02 15:01:29 GMT 2025 , Edited by admin on Wed Apr 02 15:01:29 GMT 2025

PRIMARY

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